CID 369353

4,4a,5,6-tetrahydro-4a-methyl-benzo(h)cinnolin-3(2h)-one

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC12CCC3=CC=CC=C3C1=NNC(=O)C2
InChI
InChI=1S/C13H14N2O/c1-13-7-6-9-4-2-3-5-10(9)12(13)15-14-11(16)8-13/h2-5H,6-8H2,1H3,(H,14,16)
InChIKey
XXPJSJVCOUWWCD-UHFFFAOYSA-N
Compound name
4a-methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 148.3
[M+Na]+ 237.099828 156.5
[M-H]- 213.103334 149.2
[M+NH4]+ 232.144433 167.5
[M+K]+ 253.073768 151.4
[M+H-H2O]+ 197.107870 140.3
[M+HCOO]- 259.108811 163.0
[M+CH3COO]- 273.124461 159.4
[M+Na-2H]- 235.085276 156.6
[M]+ 214.11006142 143.7
[M]- 214.11115858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe